Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra
| العنوان: | Ba4KFe3O9: A Novel Ferrite Containing Discrete 6-Membered Rings of Corner-Sharing FeO4 Tetrahedra |
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| المؤلفون: | Qingbiao Zhao, Shae Anne Vaughn, Michael W. Lufaso, Thomas M. Pekarek, Vincent Caignaert, Won-Joon Son, Mark D. Smith, Myung-Hwan Whangbo, Hans-Conrad zur Loye, Alex I. Smirnov, Longfei Ye, Saritha Nellutla |
| المصدر: | Inorganic Chemistry. 50:10310-10318 |
| بيانات النشر: | American Chemical Society (ACS), 2011. |
| سنة النشر: | 2011 |
| مصطلحات موضوعية: | Condensed matter physics, Magnetic moment, Oxide, Crystal structure, Ring (chemistry), Inorganic Chemistry, chemistry.chemical_compound, Crystallography, chemistry, Mössbauer spectroscopy, Antiferromagnetism, Ferrite (magnet), Density functional theory, Physical and Theoretical Chemistry |
| الوصف: | Single crystals of a new iron-containing oxide, Ba4KFe3O9, were grown from a hydroxide melt, and the crystal structure was determined by single-crystal X-ray diffraction. This ferrite represents the first complex oxide containing isolated 6-membered rings of corner-sharing FeO4 tetrahedra. Mossbauer measurements are indicative of two tetrahedral high-spin Fe3+ coordination environments. The observed magnetic moment (∼3.9 μB) at 400 K is significantly lower than the calculated spin-only (∼5.2 μB) value, indicating the presence of strong antiferromagnetic interactions in the oxide. Our density functional theory calculations confirm the strong antiferromagnetic coupling between adjacent Fe3+ sites within each 6-membered ring and estimate the nearest-neighbor spin-exchange integral as ∼200 K; next-nearest-neighbor interactions are shown to be negligible. The lower than expected effective magnetic moment for Ba4KFe3O9 calculated from χT data is explained as resulting from the occupation of lower-lying magnetic... |
| تدمد: | 1520-510X 0020-1669 |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_________::a7197f1d71d1c479c2f86c495d8a4e69 https://doi.org/10.1021/ic201374g |
| حقوق: | OPEN |
| رقم الأكسشن: | edsair.doi...........a7197f1d71d1c479c2f86c495d8a4e69 |
| قاعدة البيانات: | OpenAIRE |
Find this issue from the American Chemical Society | تدمد: | 1520510X 00201669 |
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